Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "533175f0d816c73a300eaea102be850e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.750,
"b": 62.317,
"c": 142.177,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 161791,
"number_observations_unique": 33609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 1547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 1620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 1626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.656
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 1683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 1704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 1712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 1734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 1784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}